Alternatives and similar repositories for ml-drug-discovery

Users that are interested in ml-drug-discovery are comparing it to the libraries listed below

• HUBioDataLab / DrugGEN
  Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…
  ☆64Updated 2 months ago
• moleculediscovery / workshop2023
  Repository for the 2023 ELLIS Machine Learning for Molecules Discovery workshop
  ☆19Updated last year
• chupvl / awesome-ls-ventures
  Awesome list of the data and AI/ML related projects with direct Life Science Companies participation
  ☆34Updated 8 months ago
• dmamur / elembert
  ☆21Updated 3 weeks ago
• alxfgh / Large-Language-Models-in-Chemistry
  Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…
  ☆64Updated last year
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆77Updated 8 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆61Updated this week
• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆95Updated 7 months ago
• kochgroup / intro_pharma_ai
  A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
  ☆150Updated 8 months ago
• gmum / mldd23
  The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the …
  ☆23Updated 2 years ago
• BiomedSciAI / biomed-multi-view
  This repository contains the implementation of the Multi-view Molecular Embedding with Late Fusion (MMELON) architecture. MMELON combines…
  ☆33Updated this week
• Augmented-Nature / Augmented-Nature-ChEMBL-MCP-Server
  A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.
  ☆43Updated last week
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆53Updated 4 months ago
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆57Updated 2 weeks ago
• BioSystemsUM / DeepMol
  DeepMol: A Machine and Deep Learning Framework for Computational Chemistry
  ☆151Updated 2 weeks ago
• YunjaeChoi / vaemols
  Variational Autoencoder for Molecules
  ☆30Updated 6 years ago
• gregory-kyro / ChemSpaceAL
  ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation
  ☆16Updated last year
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆52Updated 4 months ago
• azminewasi / Awesome-MoML-NeurIPS24
  ALL Molecular ML papers from NeurIPS'24.
  ☆57Updated 6 months ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆50Updated this week
• HUBioDataLab / SELFormer
  SELFormer: Molecular Representation Learning via SELFIES Language Models
  ☆91Updated 6 months ago
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆37Updated last month
• ml-jku / MHNfs
  ☆21Updated last year
• PaccMann / chemical_representation_learning_for_toxicity_prediction
  Chemical representation learning paper in Digital Discovery
  ☆60Updated last year
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆191Updated this week
• NetPharMedGroup / publication_fingerprint
  code for Zagidullin et al 2021 "Comparative analysis of molecular fingerprints in prediction of drug combination effects"
  ☆16Updated 2 years ago
• valence-labs / mtl_summer_school_2024
  ☆43Updated 11 months ago
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆63Updated 3 years ago
• MolecularAI / pysmilesutils
  Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)
  ☆78Updated last year
• SylwiaNowakowska / LLM_Fine_Tuning_Molecular_Properties
  Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.
  ☆27Updated last year